3-(4-(4-Nitrophenoxy)Phenyl)-1H-Pyrazole-1-Carboxamide

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Properties Simple | Detailed

Formula C16H12N4O4
IUPAC Name 3-[4-(4-nitrophenoxy)phenyl]pyrazol-1-ium-2-ide-1-carboxamide
Molecular Mass 324.291 g·mol−1
Heat of Formation 54.2 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 357.95 Å 3
Surface Area 331.17 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 1.73 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[4-(4-nitrophenoxy)phenyl]-1-pyrazolecarboxamide
InChIKey TXAVIYCBJUQLRV-UHFFFAOYSA-N
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